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Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science.
Baima, Jacopo; Goryaeva, Alexandra M; Swinburne, Thomas D; Maillet, Jean-Bernard; Nastar, Maylise; Marinica, Mihai-Cosmin.
Affiliation
  • Baima J; Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, Gif-sur-Yvette 91191, France. jacopo.baima@cea.fr.
  • Goryaeva AM; Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, Gif-sur-Yvette 91191, France. jacopo.baima@cea.fr.
  • Swinburne TD; Aix-Marseille Université, CNRS, CINaM UMR 7325, Campus de Luminy, 13288 Marseille, France.
  • Maillet JB; Université Paris-Saclay, CEA, LMCE, 91680 Bruyères-le-Châtel, France.
  • Nastar M; Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, Gif-sur-Yvette 91191, France. jacopo.baima@cea.fr.
  • Marinica MC; Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, Gif-sur-Yvette 91191, France. jacopo.baima@cea.fr.
Phys Chem Chem Phys ; 24(38): 23152-23163, 2022 Oct 05.
Article in En | MEDLINE | ID: mdl-36128869
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2022 Document type: Article Affiliation country: France Country of publication: United kingdom
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2022 Document type: Article Affiliation country: France Country of publication: United kingdom